>compound Allantoin_Allantoin
#instrument UPLC Q-Tof Premier, Waters
>formula C4H6N4O3
#smiles NC(=O)N[C@H](N1)C(=O)NC(=O)1
#RECORD LC-ESI-QTOF_train_data/PR100104.txt
>charge 1
>ionization [M+H]+
>parentmass 159.05179

>collision 30
116.0457 6.399
158.9885 7.01
159.0518 62.04

